2-Ethyl-4,6-dihydroxybenzaldehyde

HCID 57939733

Notes Reactions

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Basic information

CAS: 39503-15-6
Standard SMILES: CCc1cc(O)cc(O)c1C=O
InChIKey: FTRPYGDUSHXFFV-UHFFFAOYSA-N
Molecular formula: C9H10O3
Average molar mass: 166.17 g/mol
Monoisotopic mass: 166.06299418

Names & identifiers

Preferred name: 2-Ethyl-4,6-dihydroxybenzaldehyde
IUPAC: 2-ethyl-4,6-dihydroxybenzaldehyde

Names & synonyms

2-Ethyl-4,6-dihydroxybenzaldehyde39503-15-6Benzaldehyde, 2-ethyl-4,6-dihydroxy-2-ethyl-4,6-dihydroxy-benzaldehydeSCHEMBL2027850DTXSID90728428FTRPYGDUSHXFFV-UHFFFAOYSA-NH29215A1-28599

Database identifiers

CAS: 39503-15-6
PubChem CID: 57939733
DTXSID: DTXSID90728428

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 158

Related reactions

3 records

New reaction record

HRID 290745As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1798026As productuspto-grants-2013_01

HRID 1798027As reactantuspto-grants-2013_01

Compound notes

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